Cadmium in PDB 4xdl: Crystal Structure of Human Two Pore Domain Potassium Ion Channel TREK2 (K2P10.1) in Complex with A Brominated Fluoxetine Derivative.

The structure of Crystal Structure of Human Two Pore Domain Potassium Ion Channel TREK2 (K2P10.1) in Complex with A Brominated Fluoxetine Derivative., PDB code: 4xdl was solved by A.Mackenzie, A.C.W.Pike, Y.Y.Dong, S.Mukhopadhyay, G.F.Ruda, P.E.Brennan, C.H.Arrowsmith, A.M.Edwards, C.Bountra, N.A.Burgess-Brown, E.P.Carpenter, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.00 / 3.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	101.710, 109.840, 166.740, 90.00, 90.00, 90.00
R / Rfree (%)	23.5 / 26.3

The structure of Crystal Structure of Human Two Pore Domain Potassium Ion Channel TREK2 (K2P10.1) in Complex with A Brominated Fluoxetine Derivative. also contains other interesting chemical elements:

Fluorine	(F)	12 atoms
Potassium	(K)	6 atoms
Bromine	(Br)	4 atoms

The binding sites of Cadmium atom in the Crystal Structure of Human Two Pore Domain Potassium Ion Channel TREK2 (K2P10.1) in Complex with A Brominated Fluoxetine Derivative. (pdb code 4xdl). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 2 binding sites of Cadmium where determined in the Crystal Structure of Human Two Pore Domain Potassium Ion Channel TREK2 (K2P10.1) in Complex with A Brominated Fluoxetine Derivative., PDB code: 4xdl:
Jump to Cadmium binding site number: 1; 2;

Cadmium binding site 1 out of 2 in the Crystal Structure of Human Two Pore Domain Potassium Ion Channel TREK2 (K2P10.1) in Complex with A Brominated Fluoxetine Derivative.


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Crystal Structure of Human Two Pore Domain Potassium Ion Channel TREK2 (K2P10.1) in Complex with A Brominated Fluoxetine Derivative. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd604 b:1.0 occ:1.00 OD1 D:ASP120 2.1 0.9 1.0 OE2 A:GLU116 2.2 0.2 1.0 OE1 A:GLU113 2.4 0.1 1.0 OD2 D:ASP120 2.6 0.9 1.0 CG D:ASP120 2.7 0.0 1.0 OE2 A:GLU113 2.8 0.4 1.0 CD A:GLU113 2.9 0.7 1.0 CD A:GLU116 3.0 0.4 1.0 OE1 A:GLU116 3.3 0.7 1.0 CB D:ASP120 4.2 0.2 1.0 CG A:GLU116 4.4 0.2 1.0 CG A:GLU113 4.4 0.5 1.0 CE1 B:HIS135 4.5 0.4 1.0 NE D:ARG119 4.5 0.9 1.0 CG D:GLU116 4.5 0.3 1.0 OE2 D:GLU116 4.5 0.5 1.0 NE2 B:HIS135 4.8 0.3 1.0 CA D:ASP120 4.9 0.8 1.0

Cadmium binding site 2 out of 2 in the Crystal Structure of Human Two Pore Domain Potassium Ion Channel TREK2 (K2P10.1) in Complex with A Brominated Fluoxetine Derivative.


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Crystal Structure of Human Two Pore Domain Potassium Ion Channel TREK2 (K2P10.1) in Complex with A Brominated Fluoxetine Derivative. within 5.0Å range: probe atom residue distance (Å) B Occ D:Cd401 b:0.3 occ:1.00 OE1 D:GLU116 2.1 0.6 1.0 OD1 A:ASP120 2.2 0.6 1.0 OE1 D:GLU113 2.4 0.2 1.0 OD2 A:ASP120 2.7 0.2 1.0 OE2 D:GLU113 2.8 0.4 1.0 CG A:ASP120 2.8 0.3 1.0 CD D:GLU113 2.9 0.7 1.0 CD D:GLU116 3.0 0.4 1.0 OE2 D:GLU116 3.3 0.5 1.0 CB A:ASP120 4.3 0.9 1.0 CG D:GLU116 4.4 0.3 1.0 NE A:ARG119 4.4 0.9 1.0 CG D:GLU113 4.4 0.9 1.0 OE1 A:GLU116 4.5 0.7 1.0 CG A:GLU116 4.5 0.2 1.0 CE1 C:HIS135 4.6 0.2 1.0 NE2 C:HIS135 4.8 0.2 1.0 NH2 A:ARG119 4.9 0.8 1.0 CA A:ASP120 5.0 0.1 1.0

A.C.W.Pike, A.Mackenzie, C.Mcclenaghan, P.Aryal, L.Dong, A.Quigley, M.Grieben, S.Goubin, S.Mukhopadhyay, G.F.Ruda, M.V.Clausen, L.Cao, P.E.Brennan, N.A.Burgess-Brown, M.S.P.Sansom, S.J.Tucker, E.P.Carpenter. K2P Channel Gating Mechanisms Revealed By Structures of Trek-2 and A Complex with Prozac Science V. 347 2015.
ISSN: ESSN 1095-9203
DOI: 10.1126/SCIENCE.1261512